[gmx-users] OPLS-AA and water

[David]

On Thu, 2004-10-07 at 20:23, David L. Bostick wrote:
> thanks David. After reading your paper diagonally, I see that it is often
> used with SPC, although better with tip4p.  I have an additional question
> about your paper.  In the simulations of the villin headpiece with dummy
> hydrogens, did the water have heavy hydrogens, or were you able to get by
> with a 4 fs. timestep even with regular hydrogens?
No, just normal hydrogens there.


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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